1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

C17H25N3O — CID 114537689

IUPAC1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(CC(N)c2cc3ccccc3o2)CC(C)N1C
InChIInChI=1S/C17H25N3O/c1-12-9-20(10-13(2)19(12)3)11-15(18)17-8-14-6-4-5-7-16(14)21-17/h4-8,12-13,15H,9-11,18H2,1-3H3
InChIKeyDEJJTIXNQWGYLM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.46
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (PubChem CID 114537689) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
PubChem CID114537689
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(CC(N)c2cc3ccccc3o2)CC(C)N1C
InChIInChI=1S/C17H25N3O/c1-12-9-20(10-13(2)19(12)3)11-15(18)17-8-14-6-4-5-7-16(14)21-17/h4-8,12-13,15H,9-11,18H2,1-3H3
InChIKeyDEJJTIXNQWGYLM-UHFFFAOYSA-N
XLogP2.46
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66394022
1-(1-benzofuran-2-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 62935690
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613
1-(1-benzofuran-2-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266458
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336
1-(1-benzofuran-2-yl)hex-4-yn-1-amine
CID 104805595
1-(1-benzofuran-2-yl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62352150
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
(1R)-2-[(3aR,6aS)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-1-(1-benzofuran-2-yl)ethanol
CID 136585973
1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 107522065

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (CID 114537689) is 1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is CC1CN(CC(N)c2cc3ccccc3o2)CC(C)N1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is DEJJTIXNQWGYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-9-20(10-13(2)19(12)3)11-15(18)17-8-14-6-4-5-7-16(14)21-17/h4-8,12-13,15H,9-11,18H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114537689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).